Home Other Building Blocks RAC D 617 (N-METHYL-4-(3,4-DIMETHOXYPHENYL)-4-CYANO-5-METHYLHEXYLAMINE)

RAC D 617 (N-METHYL-4-(3,4-DIMETHOXYPHENYL)-4-CYANO-5-METHYLHEXYLAMINE)

CAS No.:
34245-14-2
Catalog Number:
AG00C94P
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00C94P
Chemical Name:
RAC D 617 (N-METHYL-4-(3,4-DIMETHOXYPHENYL)-4-CYANO-5-METHYLHEXYLAMINE)
CAS Number:
34245-14-2
MDL Number:
MFCD09834379
IUPAC Name:
2-(3,4-dimethoxyphenyl)-5-(methylamino)-2-propan-2-ylpentanenitrile
InChI:
InChI=1S/C17H26N2O2/c1-13(2)17(12-18,9-6-10-19-3)14-7-8-15(20-4)16(11-14)21-5/h7-8,11,13,19H,6,9-10H2,1-5H3
InChI Key:
WLOBUUJURNEQCL-UHFFFAOYSA-N
EC Number:
251-895-1
Properties
Complexity:
350  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.199g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
290.407g/mol
Monoisotopic Mass:
290.199g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
Synthesis and preclinical evaluation of [11C]D617, a metabolite of (R)-[11C]verapamil. Nuclear medicine and biology 20120501
Aerobic biodegradability of the calcium channel antagonist verapamil and identification of a microbial dead-end transformation product studied by LC-MS/MS. Chemosphere 20080601
Cytochrome p450 enzymes mechanism based inhibitors: common sub-structures and reactivity. Current drug metabolism 20051001
Verapamil: metabolism in cultures of primary human coronary arterial endothelial cells. Drug metabolism and disposition: the biological fate of chemicals 20030701
Properties